SCHEMBL5116938

SCHEMBL5116938

Cc1ccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(N(C)C3CCCCC3)n2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.37
GFER P55789 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
GAA P10253 4/20 0.35
ALDH1A1 P00352 3/20 0.35
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
PKM P14618 2/20 0.33
MITF O75030 1/20 0.33
GRM5 P41594 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5129075 0.86 ALDH1A1 (0.38) ALOX5GFERGAAALDH1A1SMN1; SMN2
SCHEMBL5124139 0.83 GRM5 (0.33) ALDH1A1SMN1; SMN2PKMMITFGRM5
SCHEMBL5122708 0.83 MAPK10 (0.35) ALOX5GFERGAAALDH1A1SMN1; SMN2
SCHEMBL5119826 0.83 PKM (0.34) GAAALDH1A1SMN1; SMN2PKMMITF
SCHEMBL5128544 0.82 GAA (0.38) ALOX5GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5124871 0.80 ALDH1A1 (0.36) ALOX5GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5116936 0.79 NR1H4 (0.44) ALOX5GFERNR1H4GAAALDH1A1
SCHEMBL5115166 0.73 BRD4 (0.45) GFERNR1H4GAAALDH1A1SMN1; SMN2
SCHEMBL5128146 0.71 NR1H4 (0.64) NR1H4GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5121461 0.69 GFER (0.62) ALOX5GFERGAAALDH1A1PABPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ALOX5 4142/4885GFER 3958/4885NR1H4 2683/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.